In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 19 | Yes |
Popular Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-propanamide (2S)-N-(1,3-benzodioxol-5-yl)-2-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.77 | 5.23 | -40.87 | 2 | 5 | 1 | 52 | 263.317 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 2.9 | -11.6 | 1 | 5 | 0 | 51 | 262.309 | 3 | ↓ |